N,N-bis(2-cyanoethyl)-2-fluorobenzenesulfonamide

C12H12FN3O2S — CID 3731483

IUPACN,N-bis(2-cyanoethyl)-2-fluorobenzenesulfonamide
SMILESN#CCCN(CCC#N)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H12FN3O2S/c13-11-5-1-2-6-12(11)19(17,18)16(9-3-7-14)10-4-8-15/h1-2,5-6H,3-4,9-10H2
InChIKeyOUKNHEGRGABOCP-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.64
Rot. Bonds6

About N,N-bis(2-cyanoethyl)-2-fluorobenzenesulfonamide

N,N-bis(2-cyanoethyl)-2-fluorobenzenesulfonamide (PubChem CID 3731483) has the molecular formula C12H12FN3O2S and a molecular weight of 281.31 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-2-fluorobenzenesulfonamide
PubChem CID3731483
Molecular FormulaC12H12FN3O2S
Molecular Weight281.31 g/mol
Exact Mass281.06
IUPAC NameN,N-bis(2-cyanoethyl)-2-fluorobenzenesulfonamide
SMILESN#CCCN(CCC#N)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H12FN3O2S/c13-11-5-1-2-6-12(11)19(17,18)16(9-3-7-14)10-4-8-15/h1-2,5-6H,3-4,9-10H2
InChIKeyOUKNHEGRGABOCP-UHFFFAOYSA-N
XLogP1.64
TPSA84.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-2-fluorobenzenesulfonamide (CID 3731483) is N,N-bis(2-cyanoethyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-2-fluorobenzenesulfonamide is N#CCCN(CCC#N)S(=O)(=O)c1ccccc1F.
What is the InChIKey of N,N-bis(2-cyanoethyl)-2-fluorobenzenesulfonamide?
The InChIKey is OUKNHEGRGABOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2S/c13-11-5-1-2-6-12(11)19(17,18)16(9-3-7-14)10-4-8-15/h1-2,5-6H,3-4,9-10H2.
What are the key properties of N,N-bis(2-cyanoethyl)-2-fluorobenzenesulfonamide?
N,N-bis(2-cyanoethyl)-2-fluorobenzenesulfonamide has a molecular weight of 281.31 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 3731483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).